Mrv0541 02231219412D 61 65 0 0 0 0 999 V2000 27.2057 -12.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7276 -13.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9083 -10.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1756 -14.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0664 -12.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7698 -17.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7883 -9.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3578 -18.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 -13.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6300 -16.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9568 -10.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1997 -16.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1183 -14.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1337 -19.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2111 -17.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0739 -18.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4966 -16.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3858 -14.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1192 -13.4168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1469 -15.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9066 -14.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6538 -14.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6538 -14.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8540 -13.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5322 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8085 -12.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8816 -15.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7062 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4577 -12.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6068 -13.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3125 -15.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0071 -11.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3102 -13.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7339 -16.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5598 -16.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8085 -16.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6344 -15.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6400 -14.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6400 -14.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4383 -13.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6593 -13.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4853 -16.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4383 -15.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2173 -11.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1805 -17.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6869 -15.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9255 -15.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2118 -16.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6602 -10.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0488 -17.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9834 -13.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4338 -18.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9255 -16.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0712 -13.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3973 -11.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8705 -16.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1351 -9.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8688 -17.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2225 -13.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 -18.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2111 -16.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 54 1 0 0 0 0 3 55 1 0 0 0 0 4 54 2 0 0 0 0 5 55 2 0 0 0 0 6 56 1 0 0 0 0 7 57 1 0 0 0 0 8 58 1 0 0 0 0 9 59 1 0 0 0 0 10 56 2 0 0 0 0 11 57 2 0 0 0 0 12 58 2 0 0 0 0 13 59 2 0 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 16 60 2 0 0 0 0 17 61 2 0 0 0 0 18 24 1 0 0 0 0 18 27 1 0 0 0 0 19 26 1 0 0 0 0 19 29 1 0 0 0 0 20 36 1 0 0 0 0 20 42 2 0 0 0 0 21 40 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 25 32 1 0 0 0 0 26 30 2 0 0 0 0 27 37 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 41 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 42 1 0 0 0 0 34 45 1 0 0 0 0 35 36 1 0 0 0 0 35 50 1 0 0 0 0 36 37 2 0 0 0 0 38 39 2 0 0 0 0 38 43 1 0 0 0 0 38 47 1 0 0 0 0 39 40 1 0 0 0 0 39 51 1 0 0 0 0 40 41 1 0 0 0 0 42 46 1 0 0 0 0 43 46 2 0 0 0 0 44 55 1 0 0 0 0 45 52 1 0 0 0 0 47 53 1 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 58 1 0 0 0 0 51 59 1 0 0 0 0 52 60 1 0 0 0 0 53 61 1 0 0 0 0 M END > BMDB0003327 > bmdb > OC(C(O)=O)C1=C2NC(\C=C3/N=C(/C=C4\N=C(\C=C5/N\C(=C/2)C(CCC(O)=O)=C5CC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O > InChI=1S/C40H38N4O17/c45-31(46)5-1-16-20(9-35(53)54)27-13-26-19(4-8-34(51)52)38(39(59)40(60)61)30(44-26)15-25-18(3-7-33(49)50)22(11-37(57)58)29(43-25)14-28-21(10-36(55)56)17(2-6-32(47)48)24(42-28)12-23(16)41-27/h12-15,39,43-44,59H,1-11H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,60,61)/b23-12-,24-12-,25-15-,26-13-,27-13-,28-14-,29-14-,30-15- > YJTWTRZGXOUSMM-FMHKYKDHSA-N > C40H38N4O17 > 846.7463 > 846.22319581 > 19 > 86.00049862554944 > 0 > 11 > 0 > 0 > 3-{5-[carboxy(hydroxy)methyl]-9,15,19-tris(2-carboxyethyl)-10,14,20-tris(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaen-4-yl}propanoic acid > 0.43 > 2.7971817359999998 > -4.38 > 1 > 5 > -8 > 3.358129389232342 > 2.981782581603964 > 375.98999999999995 > 202.65960000000015 > 20 > 0 > 3.56e-02 g/l > 3-{5-[carboxy(hydroxy)methyl]-9,15,19-tris(2-carboxyethyl)-10,14,20-tris(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaen-4-yl}propanoic acid > 0 > BMDB0003327 > Mesohydroxy uroporphyrin III > 3,8,13,17-tetrakis(carboxymethyl)-5(10-,15 or 20)-hydroxy-21H,23H-Porphine-2,7,12,18-tetrapropanoate; 3,8,13,17-tetrakis(carboxymethyl)-5(10-,15 or 20)-hydroxy-21H,23H-Porphine-2,7,12,18-tetrapropanoic acid $$$$